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SCHEFFLERASIDE-II;3-O-BETA-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID GA7xbdBuxac
InChI InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24?,25-,26-,27?,28?,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey RJWVNQDEFVAPCR-MAEQZSKYSA-N
Mol Weight 1103.3 g/mol
Molecular Formula C54H86O23
Exact Mass 1102.555989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v8cUPfH5MN
Name SCHEFFLERASIDE-II;3-O-BETA-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL]-ESTER
Compound Number 143
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O23
InChI InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24?,25-,26-,27?,28?,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey RJWVNQDEFVAPCR-MAEQZSKYSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1103.263 g/mol
Solvent C5D5N
Source File Reference UWVN1268